1-[[1-(azepan-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-3-(2,6-diethylphenyl)thiourea

Systemtic Name: 1-[[1-(azepan-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-3-(2,6-diethylphenyl)thiourea Openeye Name: 1-[[1-(azepan-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-3-(2,6-diethylphenyl)thiourea CAS Name: 1-[[1-(1-azepanylmethyl)-2-oxo-3-indolylidene]amino]-3-(2,6-diethylphenyl)thiourea IUPAC Name: 1-[[1-(azepan-1-ylmethyl)-2-oxoindol-3-ylidene]amino]-3-(2,6-diethylphenyl)thiourea Traditional Name: 1-[[1-(azepan-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-3-(2,6-diethylphenyl)thiourea Formula: C26H33N5OS MolecularWeight: 463.63812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCCCCC4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCCCCC4

InChI

InChI=1S/C26H33N5OS/c1-3-19-12-11-13-20(4-2)23(19)27-26(33)29-28-24-21-14-7-8-15-22(21)31(25(24)32)18-30-16-9-5-6-10-17-30/h7-8,11-15H,3-6,9-10,16-18H2,1-2H3,(H2,27,29,33)