1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenethyl-thiourea Openeye Name: 1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenethyl-thiourea CAS Name: 1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-phenethylthiourea IUPAC Name: 1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenethylthiourea Traditional Name: 1-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenethyl-thiourea Formula: C16H16BrN3OS MolecularWeight: 378.28674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NNC=C2C=C(C=CC2=O)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NNC=C2C=C(C=CC2=O)Br

InChI

InChI=1S/C16H16BrN3OS/c17-14-6-7-15(21)13(10-14)11-19-20-16(22)18-9-8-12-4-2-1-3-5-12/h1-7,10-11,19H,8-9H2,(H2,18,20,22)