1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-phenethyl-thiourea

Systemtic Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-phenethyl-thiourea Openeye Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-phenethyl-thiourea CAS Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-3-phenethylthiourea IUPAC Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-phenethylthiourea Traditional Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-phenethyl-thiourea Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCC1=CC=CC=C1)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NCCC1=CC=CC=C1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N5OS2/c1-13(21-19-22-15-9-5-6-10-16(15)27-19)17(25)23-24-18(26)20-12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,21,22)(H,23,25)(H2,20,24,26)/t13-/m0/s1