1-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]-3-[(Z)-[(3E)-3-(methylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea

Systemtic Name: 1-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]-3-[(Z)-[(3E)-3-(methylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea Openeye Name: 1-[4-(4-dimethylaminophenyl)azophenyl]-3-[(Z)-[(2E)-1-methyl-2-(methylcarbamothioylhydrazono)propylidene]amino]thiourea CAS Name: 1-[(E)-[(3Z)-3-[[[4-(4-dimethylaminophenyl)azoanilino]-sulfanylidenemethyl]hydrazinylidene]butan-2-ylidene]amino]-3-methylthiourea IUPAC Name: 1-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]-3-[(Z)-[(3E)-3-(methylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea Traditional Name: 1-[4-(4-dimethylaminophenyl)azophenyl]-3-[(Z)-[(2E)-1-methyl-2-(methylthiocarbamoylhydrazono)propylidene]amino]thiourea Formula: C21H27N9S2 MolecularWeight: 469.62938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC)C(=NNC(=S)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

C/C(=N\NC(=S)NC)/C(=N\NC(=S)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C)/C

InChI

InChI=1S/C21H27N9S2/c1-14(24-28-20(31)22-3)15(2)25-29-21(32)23-16-6-8-17(9-7-16)26-27-18-10-12-19(13-11-18)30(4)5/h6-13H,1-5H3,(H2,22,28,31)(H2,23,29,32)/b24-14+,25-15-,27-26?