(1Z)-1-(1-methyl-1-oxidanylidene-1,2-benzothiazol-3-ylidene)-3-prop-2-enyl-thiourea

Systemtic Name: (1Z)-1-(1-methyl-1-oxidanylidene-1,2-benzothiazol-3-ylidene)-3-prop-2-enyl-thiourea Openeye Name: (3Z)-1-allyl-3-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)thiourea CAS Name: (1Z)-1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea IUPAC Name: (1Z)-1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-prop-2-enylthiourea Traditional Name: (3Z)-1-allyl-3-(1-keto-1-methyl-1,2-benzothiazol-3-ylidene)thiourea Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

CS1(=NC(=NC(=S)NCC=C)C2=CC=CC=C21)=O

Isomeric SMILES

CS1(=N/C(=N\C(=S)NCC=C)/C2=CC=CC=C21)=O

InChI

InChI=1S/C12H13N3OS2/c1-3-8-13-12(17)14-11-9-6-4-5-7-10(9)18(2,16)15-11/h3-7H,1,8H2,2H3,(H,13,17)/b14-11-