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

Systemtic Name: 1-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-butyl-thiourea Openeye Name: 1-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-butyl-thiourea CAS Name: 1-[1-[4-(1-azepanyl)phenyl]ethylideneamino]-3-butylthiourea IUPAC Name: 1-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-butylthiourea Traditional Name: 1-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-butyl-thiourea Formula: C19H30N4S MolecularWeight: 346.5333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=CC=C(C=C1)N2CCCCCC2

Isomeric SMILES

CCCCNC(=S)NN=C(C)C1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C19H30N4S/c1-3-4-13-20-19(24)22-21-16(2)17-9-11-18(12-10-17)23-14-7-5-6-8-15-23/h9-12H,3-8,13-15H2,1-2H3,(H2,20,22,24)