1-[(E)-benzo[b]pyren-6-ylmethylideneamino]thiourea

Systemtic Name: 1-[(E)-benzo[b]pyren-6-ylmethylideneamino]thiourea Openeye Name: [(E)-benzo[b]pyren-6-ylmethyleneamino]thiourea CAS Name: [(E)-6-benzo[b]pyrenylmethylideneamino]thiourea IUPAC Name: [(E)-benzo[b]pyren-6-ylmethylideneamino]thiourea Traditional Name: [(E)-benzo[b]pyren-6-ylmethyleneamino]thiourea Formula: C22H15N3S MolecularWeight: 353.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2C=NNC(=S)N)C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2/C=N/NC(=S)N)C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C22H15N3S/c23-22(26)25-24-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-12H,(H3,23,25,26)/b24-12+