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

Systemtic Name: 1-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[(Z)-1-[4-(1-azepanyl)phenyl]ethylideneamino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-(3-methoxyphenyl)thiourea Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC(=CC=C1)OC)C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC(=CC=C1)OC)/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H28N4OS/c1-17(24-25-22(28)23-19-8-7-9-21(16-19)27-2)18-10-12-20(13-11-18)26-14-5-3-4-6-15-26/h7-13,16H,3-6,14-15H2,1-2H3,(H2,23,25,28)/b24-17-