2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Formula: C20H18N6OS2 MolecularWeight: 422.52652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC4=NN=C(S4)N

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=CC=C3)NC(=O)CSC4=NN=C(S4)N

InChI

InChI=1S/C20H18N6OS2/c1-12-17(13-7-3-2-4-8-13)18(23-15-10-6-5-9-14(15)22-12)24-16(27)11-28-20-26-25-19(21)29-20/h2-10,17H,11H2,1H3,(H2,21,25)(H,23,24,27)/t17-/m1/s1