N-[(2S)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[(2S)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-carbamimidoyl-benzamide Openeye Name: N-[(1S)-1-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-methylsulfanyl-propyl]-3-carbamimidoyl-benzamide CAS Name: N-[(2S)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-carbamimidoylbenzamide IUPAC Name: N-[(2S)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[(1S)-1-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1CCC(CC1)CN)NC(=O)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1CCC(CC1)CN)NC(=O)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H33N5O2S/c1-29-10-9-18(21(28)25-13-15-7-5-14(12-22)6-8-15)26-20(27)17-4-2-3-16(11-17)19(23)24/h2-4,11,14-15,18H,5-10,12-13,22H2,1H3,(H3,23,24)(H,25,28)(H,26,27)/t14?,15?,18-/m0/s1