1-[3-(2-azanylethylcarbamothioylamino)-4-chloranyl-phenyl]-3-(3-chloranyl-4-methyl-phenyl)urea

Systemtic Name: 1-[3-(2-azanylethylcarbamothioylamino)-4-chloranyl-phenyl]-3-(3-chloranyl-4-methyl-phenyl)urea Openeye Name: 1-[3-(2-aminoethylcarbamothioylamino)-4-chloro-phenyl]-3-(3-chloro-4-methyl-phenyl)urea CAS Name: 1-[3-[[(2-aminoethylamino)-sulfanylidenemethyl]amino]-4-chlorophenyl]-3-(3-chloro-4-methylphenyl)urea IUPAC Name: 1-[3-(2-aminoethylcarbamothioylamino)-4-chlorophenyl]-3-(3-chloro-4-methylphenyl)urea Traditional Name: 1-[3-(2-aminoethylthiocarbamoylamino)-4-chloro-phenyl]-3-(3-chloro-4-methyl-phenyl)urea Formula: C17H19Cl2N5OS MolecularWeight: 412.33666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)NC(=S)NCCN)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)NC(=S)NCCN)Cl

InChI

InChI=1S/C17H19Cl2N5OS/c1-10-2-3-11(8-14(10)19)22-16(25)23-12-4-5-13(18)15(9-12)24-17(26)21-7-6-20/h2-5,8-9H,6-7,20H2,1H3,(H2,21,24,26)(H2,22,23,25)