(1Z)-1-(1-azanylheptylidene)-3-(4-phenylmethoxyphenyl)thiourea hydrochloride

Systemtic Name: (1Z)-1-(1-azanylheptylidene)-3-(4-phenylmethoxyphenyl)thiourea hydrochloride Openeye Name: (1Z)-1-(1-aminoheptylidene)-3-(4-benzyloxyphenyl)thiourea hydrochloride CAS Name: (1Z)-1-(1-aminoheptylidene)-3-(4-phenylmethoxyphenyl)thiourea hydrochloride IUPAC Name: (1Z)-1-(1-aminoheptylidene)-3-(4-phenylmethoxyphenyl)thiourea hydrochloride Traditional Name: (1Z)-1-(1-aminoheptylidene)-3-(4-benzoxyphenyl)thiourea hydrochloride Formula: C21H28ClN3OS MolecularWeight: 405.98452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC(=S)NC1=CC=C(C=C1)OCC2=CC=CC=C2)N.Cl

Isomeric SMILES

CCCCCC/C(=N/C(=S)NC1=CC=C(C=C1)OCC2=CC=CC=C2)/N.Cl

InChI

InChI=1S/C21H27N3OS.ClH/c1-2-3-4-8-11-20(22)24-21(26)23-18-12-14-19(15-13-18)25-16-17-9-6-5-7-10-17;/h5-7,9-10,12-15H,2-4,8,11,16H2,1H3,(H3,22,23,24,26);1H