N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3S2/c1-12-4-6-14-17(10-12)30-20(21-14)23-19(29)22-18(26)13-5-7-15(16(11-13)25(27)28)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9H2,1H3,(H2,21,22,23,26,29)