N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C20H20IN3O2S MolecularWeight: 493.36117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3)I

InChI

InChI=1S/C20H20IN3O2S/c1-11-6-7-14(10-15(11)21)19(26)24-20(27)23-17-5-3-4-16(12(17)2)22-18(25)13-8-9-13/h3-7,10,13H,8-9H2,1-2H3,(H,22,25)(H2,23,24,26,27)