N-[4-[[3-chloranyl-4-[[1-(phenylmethyl)pyrrolidin-3-yl]methylamino]phenyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[3-chloranyl-4-[[1-(phenylmethyl)pyrrolidin-3-yl]methylamino]phenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[4-[(1-benzylpyrrolidin-3-yl)methylamino]-3-chloro-phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[3-chloro-4-[[1-(phenylmethyl)-3-pyrrolidinyl]methylamino]anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[4-[(1-benzylpyrrolidin-3-yl)methylamino]-3-chlorophenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[[4-[(1-benzylpyrrolidin-3-yl)methylamino]-3-chloro-phenyl]thiocarbamoylamino]phenyl]acetamide Formula: C27H30ClN5OS MolecularWeight: 508.078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NCC3CCN(C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NCC3CCN(C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H30ClN5OS/c1-19(34)30-22-7-9-23(10-8-22)31-27(35)32-24-11-12-26(25(28)15-24)29-16-21-13-14-33(18-21)17-20-5-3-2-4-6-20/h2-12,15,21,29H,13-14,16-18H2,1H3,(H,30,34)(H2,31,32,35)