1-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-benzyl-thiourea CAS Name: 1-[1-[4-(1-azepanyl)phenyl]ethylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-benzylthiourea Traditional Name: 1-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-benzyl-thiourea Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H28N4S/c1-18(24-25-22(27)23-17-19-9-5-4-6-10-19)20-11-13-21(14-12-20)26-15-7-2-3-8-16-26/h4-6,9-14H,2-3,7-8,15-17H2,1H3,(H2,23,25,27)