1-(3-chloranyl-4-methyl-phenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)urea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)urea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]urea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-pyrrolidino-2-(2-thienyl)ethyl]urea Formula: C18H22ClN3OS MolecularWeight: 363.90478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC(C2=CC=CS2)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC(C2=CC=CS2)N3CCCC3)Cl

InChI

InChI=1S/C18H22ClN3OS/c1-13-6-7-14(11-15(13)19)21-18(23)20-12-16(17-5-4-10-24-17)22-8-2-3-9-22/h4-7,10-11,16H,2-3,8-9,12H2,1H3,(H2,20,21,23)