1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-[3-(methylthio)propyl]thiourea Formula: C18H19N3OS3 MolecularWeight: 389.55796

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NC1=CC(=C2NC3=CC=CC=C3S2)C(=O)C=C1

Isomeric SMILES

CSCCCNC(=S)NC1=CC(=C2NC3=CC=CC=C3S2)C(=O)C=C1

InChI

InChI=1S/C18H19N3OS3/c1-24-10-4-9-19-18(23)20-12-7-8-15(22)13(11-12)17-21-14-5-2-3-6-16(14)25-17/h2-3,5-8,11,21H,4,9-10H2,1H3,(H2,19,20,23)