(E)-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C18H13ClN4O3S2 MolecularWeight: 432.90382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O3S2/c1-10-7-15-14(9-13(10)19)20-18(28-15)22-17(27)21-16(24)6-5-11-3-2-4-12(8-11)23(25)26/h2-9H,1H3,(H2,20,21,22,24,27)/b6-5+