1-[4-[1,3-bis(oxidanylidene)-6-(2-pyrrolidin-1-ylethylamino)-4H-isoquinolin-2-yl]-3-chloranyl-phenyl]-3-(5-chloranylthiophen-2-yl)sulfonyl-urea

Systemtic Name: 1-[4-[1,3-bis(oxidanylidene)-6-(2-pyrrolidin-1-ylethylamino)-4H-isoquinolin-2-yl]-3-chloranyl-phenyl]-3-(5-chloranylthiophen-2-yl)sulfonyl-urea Openeye Name: 1-[3-chloro-4-[1,3-dioxo-6-(2-pyrrolidin-1-ylethylamino)-4H-isoquinolin-2-yl]phenyl]-3-[(5-chloro-2-thienyl)sulfonyl]urea CAS Name: 1-[3-chloro-4-[1,3-dioxo-6-[2-(1-pyrrolidinyl)ethylamino]-4H-isoquinolin-2-yl]phenyl]-3-[(5-chloro-2-thiophenyl)sulfonyl]urea IUPAC Name: 1-[3-chloro-4-[1,3-dioxo-6-(2-pyrrolidin-1-ylethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea Traditional Name: 1-[3-chloro-4-[1,3-diketo-6-(2-pyrrolidinoethylamino)-4H-isoquinolin-2-yl]phenyl]-3-[(5-chloro-2-thienyl)sulfonyl]urea Formula: C26H25Cl2N5O5S2 MolecularWeight: 622.5432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=CC3=C(C=C2)C(=O)N(C(=O)C3)C4=C(C=C(C=C4)NC(=O)NS(=O)(=O)C5=CC=C(S5)Cl)Cl

Isomeric SMILES

C1CCN(C1)CCNC2=CC3=C(C=C2)C(=O)N(C(=O)C3)C4=C(C=C(C=C4)NC(=O)NS(=O)(=O)C5=CC=C(S5)Cl)Cl

InChI

InChI=1S/C26H25Cl2N5O5S2/c27-20-15-18(30-26(36)31-40(37,38)24-8-7-22(28)39-24)4-6-21(20)33-23(34)14-16-13-17(3-5-19(16)25(33)35)29-9-12-32-10-1-2-11-32/h3-8,13,15,29H,1-2,9-12,14H2,(H2,30,31,36)