1-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(o-tolyl)thiourea CAS Name: 1-[(Z)-1-[4-(1-azepanyl)phenyl]ethylideneamino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(o-tolyl)thiourea Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NN=C(C)C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N/N=C(/C)\C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H28N4S/c1-17-9-5-6-10-21(17)23-22(27)25-24-18(2)19-11-13-20(14-12-19)26-15-7-3-4-8-16-26/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H2,23,25,27)/b24-18-