1-[(E)-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-3-en-2-ylidene]amino]thiourea

Systemtic Name: 1-[(E)-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-3-en-2-ylidene]amino]thiourea Openeye Name: [(E)-[(Z)-3-(4-chlorophenyl)-1-methyl-2-phenyl-prop-2-enylidene]amino]thiourea CAS Name: [(E)-[(Z)-4-(4-chlorophenyl)-3-phenylbut-3-en-2-ylidene]amino]thiourea IUPAC Name: [(E)-[(Z)-4-(4-chlorophenyl)-3-phenylbut-3-en-2-ylidene]amino]thiourea Traditional Name: [(E)-[(Z)-3-(4-chlorophenyl)-1-methyl-2-phenyl-prop-2-enylidene]amino]thiourea Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C(=CC1=CC=C(C=C1)Cl)C2=CC=CC=C2

Isomeric SMILES

C/C(=N\NC(=S)N)/C(=C\C1=CC=C(C=C1)Cl)/C2=CC=CC=C2

InChI

InChI=1S/C17H16ClN3S/c1-12(20-21-17(19)22)16(14-5-3-2-4-6-14)11-13-7-9-15(18)10-8-13/h2-11H,1H3,(H3,19,21,22)/b16-11+,20-12+