methyl N-[6-[4-[[(2S)-2-azanylpropanoyl]amino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[4-[[(2S)-2-azanylpropanoyl]amino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[4-[[(2S)-2-aminopropanoyl]amino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[[4-[[(2S)-2-amino-1-oxopropyl]amino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[4-[[(2S)-2-aminopropanoyl]amino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[[4-[[(2S)-2-aminopropanoyl]amino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)N

InChI

InChI=1S/C18H19N5O3S/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25)/t10-/m0/s1