2-[(4-chlorophenyl)carbamothioylamino]-3-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanamide

Systemtic Name: 2-[(4-chlorophenyl)carbamothioylamino]-3-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanamide Openeye Name: 2-[(4-chlorophenyl)carbamothioylamino]-3-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanamide CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-3-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanamide IUPAC Name: 2-[(4-chlorophenyl)carbamothioylamino]-3-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanamide Traditional Name: 2-[(4-chlorophenyl)thiocarbamoylamino]-3-methyl-N-[4-(1-methyl-2-imidazolin-2-yl)phenyl]butyramide Formula: C22H26ClN5OS MolecularWeight: 443.99274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C2=NCCN2C)NC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)C2=NCCN2C)NC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN5OS/c1-14(2)19(27-22(30)26-18-10-6-16(23)7-11-18)21(29)25-17-8-4-15(5-9-17)20-24-12-13-28(20)3/h4-11,14,19H,12-13H2,1-3H3,(H,25,29)(H2,26,27,30)